1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C17H21N3OS — CID 10710468

IUPAC1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccs1)C2=O
InChIInChI=1S/C17H21N3OS/c1-2-14-13-9-10-19(15-8-5-11-22-15)17(21)16(13)20(18-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyWXYWCPJRLVYDEK-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.83
Rot. Bonds3

About 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10710468) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10710468
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccs1)C2=O
InChIInChI=1S/C17H21N3OS/c1-2-14-13-9-10-19(15-8-5-11-22-15)17(21)16(13)20(18-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyWXYWCPJRLVYDEK-UHFFFAOYSA-N
XLogP3.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10710468) is 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCC2)c2c1CCN(c1cccs1)C2=O.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is WXYWCPJRLVYDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-14-13-9-10-19(15-8-5-11-22-15)17(21)16(13)20(18-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 315.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10710468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).